SCHEMBL11983111

SCHEMBL11983111

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccc(C5=CC(S(N)(=O)=O)CC=C5)o4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.48
▸ CALML3 P27482 7/20 0.45
▸ MAOB P27338 2/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ SDHA P31040 2/20 0.45
▸ LMNA P02545 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1394654 0.84 MAOA (0.51) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394469 0.82 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393506 0.81 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1394415 0.81 MAOA (0.59) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3080162 0.81 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393518 0.81 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393859 0.79 MAOA (0.54) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393121 0.79 MAOA (0.59) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393295 0.78 MAOA (0.60) MAOACALML3MAOBPTGS1SDHA
SCHEMBL13528667 0.78 MAOA (0.62) MAOACALML3MAOBPTGS1SDHA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656370-B1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB X PHARMACEUTICALS INC (US) 2012-08-15 — — EP disclosed
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